SCHEMBL24016565

SCHEMBL24016565

Cc1nc2c(c3cc(C(=O)NCc4cccnc4)ccc3n2-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
SORT1 Q99523 1/20 0.45
BTK Q06187 1/20 0.45
PIK3CA P42336 1/20 0.44
TEAD1 P28347 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
TEAD3 Q99594 1/20 0.44
NAMPT P43490 4/20 0.44
EPHX2 P34913 1/20 0.44
DGAT2 Q96PD7 1/20 0.43
SCD O00767 1/20 0.43
MMP13 P45452 1/20 0.43
USP2 O75604 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24015671 0.91 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL24016249 0.86 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24016185 0.85 TEAD1 (0.63) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24016023 0.85 PPARG (0.53) MEN1KMT2AALDH1A1LMNASORT1
SCHEMBL30561352 0.84 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL25381780 0.84 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24016561 0.84 TEAD1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24015695 0.83 TEAD1 (0.49) MAPTTEAD1TEAD4TEAD2TEAD3
SCHEMBL24016533 0.83 TEAD1 (0.45) MAPTALDH1A1LMNATEAD1TEAD4
SCHEMBL24015697 0.82 TEAD1 (0.48) MAPTALDH1A1TEAD1TEAD4TEAD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed